MassBank Record: MSBNK-Keio_Univ-KO002938
ACCESSION: MSBNK-Keio_Univ-KO002938
RECORD_TITLE: Glycine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID G011
CH$NAME: Gly
CH$NAME: Aminoacetic acid
CH$NAME: Glycine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C2H5NO2
CH$EXACT_MASS: 75.03203
CH$SMILES: NCC(O)=O
CH$IUPAC: InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
CH$LINK: CAS
56-40-6
CH$LINK: CHEBI
15428
CH$LINK: CHEMPDB GLY
CH$LINK: KEGG
C00037
CH$LINK: NIKKAJI
J1.163K
CH$LINK: PUBCHEM
SID:3339
CH$LINK: INCHIKEY
DHMQDGOQFOQNFH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9020667
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 76
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-017i-9000000000-fbd78fbb48f082235f42
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
15.400 163366.5 999
19.000 19802.0 121
21.600 74257.5 454
24.800 19802.0 121
26.400 34653.5 212
28.700 74257.5 454
56.100 49505.0 303
67.900 24752.5 151
82.200 49505.0 303
283.300 24752.5 151
433.000 29703.0 182
//
system version 2.2.6-SNAPSHOT